Cas no 71605-66-8 (2-[(2,1,3-benzothiadiazol-5-ylmethyl)amino]ethanethiol)
![2-[(2,1,3-benzothiadiazol-5-ylmethyl)amino]ethanethiol structure](https://ossimg.kuujia.com/scimg/72000/71605-66-8x500.png)
71605-66-8 structure
Product Name:2-[(2,1,3-benzothiadiazol-5-ylmethyl)amino]ethanethiol
CAS No:71605-66-8
MF:C9H11N3S2
MW:225.333738565445
CID:1750572
PubChem ID:3054696
Update Time:2025-04-21
2-[(2,1,3-benzothiadiazol-5-ylmethyl)amino]ethanethiol Chemical and Physical Properties
Names and Identifiers
-
- 2-[(2,1,3-benzothiadiazol-5-ylmethyl)amino]ethanethiol
- 2-(2,1,3-benzothiadiazol-5-ylmethylamino)ethanethiol
- 71605-66-8
- 2-((2,1,3-Benzothia(S(sup IV))diazol-5-yl)methylamino)ethanethiol
- BRN 5419880
- DTXSID10221845
- Ethanethiol, 2-((2,1,3-benzothia(S(sup IV))diazol-5-yl)methylamino)-
-
- Inchi： 1S/C9H11N3S2/c13-4-3-10-6-7-1-2-8-9(5-7)12-14-11-8/h1-2,5,10,13H,3-4,6H2
- InChI Key： IIUYDALZFUPUPG-UHFFFAOYSA-N
- SMILES： S1N=C2C=CC(=CC2=N1)CNCCS
Computed Properties
- Exact Mass: 225.03963
- Monoisotopic Mass: 225.03943971g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 179
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 67?2
Experimental Properties
- PSA: 37.81
2-[(2,1,3-benzothiadiazol-5-ylmethyl)amino]ethanethiol Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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